==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-MAR-08 3CGX . COMPND 2 MOLECULE: PUTATIVE NUCLEOTIDE-DIPHOSPHO-SUGAR TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO DESULFURICANS SUBSP. . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 231 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10983.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 17 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 0 1 1 1 3 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A X 0 0 145 0, 0.0 4,-0.1 0, 0.0 100,-0.0 0.000 360.0 360.0 360.0 151.5 11.5 44.9 0.9 2 2 A S - 0 0 35 2,-0.2 101,-0.1 1,-0.1 49,-0.1 -0.229 360.0-123.8 -66.9 163.3 11.1 41.9 3.1 3 3 A E S S+ 0 0 121 99,-0.1 100,-2.5 47,-0.1 101,-1.9 0.656 97.3 60.3 -76.5 -17.7 12.0 41.9 6.8 4 4 A S E -a 104 0A 2 99,-0.2 48,-2.4 98,-0.2 2,-0.4 -0.859 65.5-168.0-116.6 145.0 14.2 38.9 6.0 5 5 A C E -ab 105 52A 0 99,-2.3 101,-2.3 -2,-0.3 2,-0.5 -0.994 10.0-153.3-134.8 139.1 17.2 38.5 3.7 6 6 A I E -ab 106 53A 0 46,-3.2 48,-3.0 -2,-0.4 2,-0.7 -0.961 8.4-158.2-108.6 120.6 19.1 35.4 2.4 7 7 A L E -ab 107 54A 2 99,-3.4 101,-2.8 -2,-0.5 2,-0.6 -0.931 10.6-163.6-100.6 116.9 22.7 36.0 1.4 8 8 A F E -ab 108 55A 1 46,-2.6 48,-2.4 -2,-0.7 2,-0.5 -0.887 6.4-149.5-112.0 107.8 23.7 33.2 -1.0 9 9 A F E + b 0 56A 14 99,-2.7 101,-0.3 -2,-0.6 2,-0.3 -0.714 30.7 154.0 -89.7 120.8 27.4 32.7 -1.4 10 10 A V E - b 0 57A 3 46,-2.0 48,-2.0 -2,-0.5 2,-0.3 -0.835 33.3-142.5-137.4 163.1 28.5 31.4 -4.9 11 11 A K - 0 0 74 -2,-0.3 46,-0.0 46,-0.2 7,-0.0 -0.989 40.5 -97.6-128.0 144.3 31.4 31.4 -7.4 12 12 A Y - 0 0 39 -2,-0.3 2,-2.2 46,-0.3 5,-0.1 -0.439 42.7-121.2 -60.1 128.0 31.0 31.6 -11.2 13 13 A P + 0 0 4 0, 0.0 -1,-0.1 0, 0.0 23,-0.1 -0.349 51.0 158.8 -78.4 62.7 31.2 27.9 -12.3 14 14 A E >> - 0 0 80 -2,-2.2 3,-2.6 1,-0.1 4,-0.6 -0.724 50.1-102.1 -85.5 129.9 34.2 28.1 -14.6 15 15 A P T 34 S+ 0 0 61 0, 0.0 14,-0.1 0, 0.0 -1,-0.1 -0.216 108.3 17.2 -54.1 133.8 36.1 24.9 -15.2 16 16 A G T 34 S+ 0 0 34 2,-0.5 4,-0.1 12,-0.3 3,-0.1 0.250 115.3 74.1 88.1 -10.8 39.3 24.7 -13.2 17 17 A K T <4 S+ 0 0 64 -3,-2.6 2,-0.3 1,-0.1 3,-0.1 0.498 96.4 42.6-108.7 -9.5 38.1 27.5 -10.8 18 18 A V S < S+ 0 0 12 -4,-0.6 -2,-0.5 10,-0.1 5,-0.1 -0.976 115.6 2.6-136.8 148.6 35.5 25.5 -8.8 19 19 A K > + 0 0 27 -2,-0.3 4,-2.6 1,-0.1 -1,-0.1 0.851 67.3 161.4 49.3 46.0 35.4 22.0 -7.3 20 20 A T H > + 0 0 73 2,-0.2 4,-1.3 1,-0.2 7,-0.1 0.841 69.6 55.7 -68.9 -31.1 38.9 21.1 -8.3 21 21 A R H 4 S+ 0 0 126 2,-0.2 4,-0.5 1,-0.2 3,-0.3 0.918 111.5 43.9 -65.7 -42.1 39.2 18.2 -5.9 22 22 A L H >> S+ 0 0 1 170,-0.4 4,-2.3 1,-0.2 3,-1.5 0.922 110.0 59.4 -63.7 -42.4 36.0 16.6 -7.4 23 23 A G H 3X S+ 0 0 6 -4,-2.6 4,-1.8 1,-0.3 5,-0.2 0.753 89.0 70.2 -57.6 -28.7 37.6 17.5 -10.8 24 24 A E H 3< S+ 0 0 155 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.814 115.0 27.1 -59.6 -26.8 40.7 15.4 -10.1 25 25 A V H <4 S+ 0 0 54 -3,-1.5 -2,-0.2 -4,-0.5 -1,-0.1 0.878 135.0 26.6-102.0 -50.2 38.4 12.4 -10.4 26 26 A V H < S- 0 0 19 -4,-2.3 4,-0.3 1,-0.2 -3,-0.2 0.512 115.1 -95.8 -98.0 -8.3 35.5 13.3 -12.7 27 27 A G X - 0 0 33 -4,-1.8 4,-2.2 -5,-0.4 5,-0.2 0.156 29.6 -96.7 101.2 142.2 37.2 16.0 -14.8 28 28 A N H > S+ 0 0 72 1,-0.2 4,-2.2 -5,-0.2 -12,-0.3 0.869 120.6 53.1 -61.9 -38.0 37.2 19.8 -14.3 29 29 A D H > S+ 0 0 119 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.926 113.0 43.0 -63.6 -46.3 34.4 20.4 -16.9 30 30 A K H > S+ 0 0 74 -4,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.857 111.7 54.1 -66.8 -38.6 32.0 17.9 -15.2 31 31 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.913 112.3 45.4 -62.2 -42.3 32.9 19.1 -11.7 32 32 A A H X S+ 0 0 2 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.877 111.1 52.0 -69.9 -34.1 32.0 22.7 -12.8 33 33 A X H X S+ 0 0 81 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.915 109.9 50.1 -68.3 -41.6 28.8 21.5 -14.5 34 34 A L H X S+ 0 0 4 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.941 112.1 46.4 -59.3 -47.9 27.7 19.7 -11.3 35 35 A Y H X S+ 0 0 9 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.911 107.6 57.8 -64.4 -39.3 28.4 22.8 -9.2 36 36 A R H X S+ 0 0 55 -4,-2.7 4,-2.3 1,-0.3 -1,-0.2 0.938 110.2 44.5 -54.0 -46.1 26.5 25.0 -11.8 37 37 A H H X S+ 0 0 31 -4,-2.2 4,-2.6 2,-0.2 177,-0.4 0.803 105.7 59.9 -71.1 -30.2 23.5 22.8 -11.2 38 38 A F H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.947 110.5 44.2 -57.7 -47.8 23.9 22.8 -7.4 39 39 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.939 113.0 49.0 -66.4 -50.1 23.5 26.6 -7.6 40 40 A Q H X S+ 0 0 61 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.914 113.1 47.6 -53.4 -47.7 20.6 26.6 -10.1 41 41 A D H X S+ 0 0 21 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.921 112.5 47.4 -64.5 -45.0 18.7 24.0 -8.0 42 42 A X H X S+ 0 0 14 -4,-2.4 4,-3.1 -5,-0.2 5,-0.2 0.916 110.5 53.6 -62.7 -41.1 19.3 25.8 -4.7 43 43 A L H X S+ 0 0 11 -4,-2.8 4,-3.4 1,-0.2 5,-0.2 0.892 104.3 54.7 -59.7 -42.0 18.2 29.2 -6.3 44 44 A Q H < S+ 0 0 136 -4,-1.9 4,-0.3 -5,-0.2 -1,-0.2 0.909 113.8 42.2 -58.5 -43.9 15.0 27.7 -7.5 45 45 A G H >< S+ 0 0 20 -4,-1.6 3,-0.7 2,-0.2 -2,-0.2 0.927 118.8 43.1 -67.2 -48.0 14.2 26.6 -4.0 46 46 A L H >< S+ 0 0 6 -4,-3.1 3,-2.4 1,-0.2 -2,-0.2 0.880 103.5 64.7 -66.6 -40.6 15.4 29.9 -2.3 47 47 A A T 3< S+ 0 0 58 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.644 99.6 56.8 -61.9 -13.1 13.8 32.2 -4.8 48 48 A R T < S+ 0 0 125 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 0.513 89.1 101.6 -95.5 -4.1 10.4 30.9 -3.6 49 49 A L S < S- 0 0 32 -3,-2.4 2,-1.4 -4,-0.1 4,-0.1 -0.150 85.7-100.0 -80.8 176.6 10.8 31.8 0.1 50 50 A H S S+ 0 0 65 2,-0.1 2,-0.3 -45,-0.0 -46,-0.1 -0.559 96.2 75.3 -93.1 65.5 9.5 34.6 2.4 51 51 A A S S- 0 0 17 -2,-1.4 -46,-0.2 -5,-0.2 2,-0.2 -0.937 84.6-104.8-171.3 146.7 12.7 36.6 2.1 52 52 A D E -b 5 0A 41 -48,-2.4 -46,-3.2 -2,-0.3 2,-0.5 -0.513 37.5-139.4 -76.1 152.6 14.6 38.7 -0.3 53 53 A L E -b 6 0A 19 -48,-0.2 24,-0.6 -2,-0.2 2,-0.5 -0.957 16.6-171.1-124.8 127.7 17.6 37.0 -1.9 54 54 A H E -bc 7 77A 25 -48,-3.0 -46,-2.6 -2,-0.5 2,-0.7 -0.984 15.4-148.1-116.9 119.2 21.1 38.5 -2.5 55 55 A I E -bc 8 78A 1 22,-3.1 24,-2.4 -2,-0.5 2,-0.6 -0.785 15.8-165.3 -91.3 113.3 23.4 36.5 -4.6 56 56 A C E -bc 9 79A 9 -48,-2.4 -46,-2.0 -2,-0.7 2,-0.3 -0.894 8.0-162.0-110.4 110.6 27.0 37.2 -3.4 57 57 A Y E -bc 10 80A 22 22,-2.0 24,-3.3 -2,-0.6 -46,-0.2 -0.677 27.0-102.3-104.6 145.6 29.7 36.1 -5.7 58 58 A V - 0 0 38 -48,-2.0 -46,-0.3 -2,-0.3 -1,-0.1 -0.388 53.2-106.9 -57.0 129.2 33.4 35.5 -5.2 59 59 A P + 0 0 51 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.241 61.5 122.1 -66.5 148.0 35.2 38.5 -6.8 60 60 A G + 0 0 59 1,-0.3 20,-0.0 -3,-0.1 -3,-0.0 -0.646 50.1 10.7-162.9-134.0 37.0 38.2 -10.0 61 61 A D > - 0 0 118 -2,-0.2 3,-1.8 1,-0.1 -1,-0.3 -0.208 67.5-111.2 -67.0 158.3 37.1 39.5 -13.6 62 62 A A T 3 S+ 0 0 107 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 0.614 111.6 67.9 -67.1 -12.0 35.2 42.7 -14.6 63 63 A D T 3> S+ 0 0 86 1,-0.2 4,-1.4 2,-0.1 -1,-0.3 0.450 71.9 95.6 -87.3 1.5 32.9 40.6 -16.8 64 64 A L H <> S+ 0 0 16 -3,-1.8 4,-2.9 1,-0.2 5,-0.2 0.853 71.0 61.8 -64.9 -41.7 31.2 38.8 -13.9 65 65 A P H > S+ 0 0 59 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.943 112.6 36.2 -53.9 -48.1 28.1 41.0 -13.5 66 66 A E H > S+ 0 0 119 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.815 113.8 59.1 -75.8 -25.2 26.7 40.3 -17.0 67 67 A K H X S+ 0 0 58 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.947 108.5 46.0 -66.4 -41.3 28.0 36.7 -16.8 68 68 A F H X>S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 5,-0.7 0.901 112.5 49.2 -65.7 -43.0 25.9 36.2 -13.7 69 69 A K H X5S+ 0 0 75 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.915 111.4 49.8 -63.5 -43.2 22.8 37.9 -15.3 70 70 A A H <5S+ 0 0 93 -4,-2.6 -1,-0.2 3,-0.2 -2,-0.2 0.801 118.8 39.6 -66.5 -27.3 23.2 35.7 -18.4 71 71 A W H <5S+ 0 0 33 -4,-1.5 -2,-0.2 -5,-0.2 -3,-0.2 0.962 132.5 17.0 -85.8 -61.2 23.4 32.6 -16.3 72 72 A L H <5S- 0 0 18 -4,-2.6 -3,-0.2 1,-0.2 -2,-0.1 0.589 118.2 -89.9 -94.6 -11.8 20.9 33.0 -13.4 73 73 A G ><< - 0 0 12 -4,-1.5 3,-1.0 -5,-0.7 -1,-0.2 -0.052 22.8-101.6 113.9 146.9 18.8 35.8 -14.9 74 74 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.548 108.8 70.0 -77.1 -6.7 18.7 39.6 -15.0 75 75 A Q T 3 S+ 0 0 142 -6,-0.2 2,-0.1 -3,-0.1 -2,-0.1 0.612 82.3 90.3 -88.5 -12.7 15.9 39.9 -12.4 76 76 A H S < S- 0 0 46 -3,-1.0 2,-0.6 -7,-0.1 -22,-0.1 -0.400 80.4-114.3 -86.6 158.3 18.0 38.7 -9.4 77 77 A X E -c 54 0A 93 -24,-0.6 -22,-3.1 -2,-0.1 2,-0.4 -0.847 37.4-177.1 -95.7 121.0 20.1 40.9 -7.1 78 78 A F E +c 55 0A 45 -2,-0.6 2,-0.3 -24,-0.2 -22,-0.2 -0.919 7.6 172.1-119.6 144.3 23.8 40.2 -7.5 79 79 A A E -c 56 0A 48 -24,-2.4 -22,-2.0 -2,-0.4 2,-0.2 -0.978 33.3-113.8-148.5 142.8 26.8 41.7 -5.5 80 80 A A E -c 57 0A 36 -2,-0.3 2,-0.2 -24,-0.2 -22,-0.2 -0.504 34.5-117.0 -69.4 141.8 30.5 40.9 -5.4 81 81 A Q - 0 0 9 -24,-3.3 2,-0.4 -2,-0.2 8,-0.1 -0.574 35.2-156.6 -70.0 146.7 31.7 39.6 -2.1 82 82 A Q + 0 0 138 7,-0.3 10,-0.3 -2,-0.2 2,-0.2 -0.974 38.0 72.9-138.5 123.6 34.2 42.0 -0.6 83 83 A G S S- 0 0 22 -2,-0.4 6,-0.1 1,-0.1 -2,-0.0 -0.767 76.2 -92.9 154.3 168.5 36.9 41.4 1.9 84 84 A L S S+ 0 0 169 -2,-0.2 2,-0.2 2,-0.0 -1,-0.1 0.815 102.8 8.3 -74.2 -36.3 40.4 39.9 2.3 85 85 A D S > S- 0 0 62 -3,-0.1 4,-2.5 1,-0.0 5,-0.2 -0.740 89.9 -87.1-136.0-177.8 39.2 36.5 3.6 86 86 A L H > S+ 0 0 81 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.886 124.7 53.3 -65.9 -32.9 35.9 34.5 3.9 87 87 A G H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.936 110.6 45.1 -69.2 -45.8 35.3 36.0 7.4 88 88 A E H > S+ 0 0 45 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.904 112.8 52.9 -60.3 -40.1 35.6 39.6 6.1 89 89 A R H X S+ 0 0 62 -4,-2.5 4,-1.9 2,-0.2 -7,-0.3 0.920 113.1 43.1 -63.1 -42.8 33.4 38.7 3.1 90 90 A X H X S+ 0 0 10 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.926 113.7 50.4 -69.3 -47.1 30.7 37.3 5.3 91 91 A K H X S+ 0 0 32 -4,-2.7 4,-2.7 -5,-0.2 5,-0.2 0.937 112.7 47.4 -54.9 -47.1 30.9 40.2 7.9 92 92 A H H X S+ 0 0 79 -4,-2.7 4,-2.3 -10,-0.3 -1,-0.2 0.909 111.9 48.8 -64.8 -39.9 30.7 42.8 5.1 93 93 A A H X S+ 0 0 18 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.940 116.1 42.7 -68.5 -43.7 27.7 41.1 3.4 94 94 A X H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.933 113.3 52.2 -67.5 -42.1 25.7 40.7 6.6 95 95 A Q H X S+ 0 0 66 -4,-2.7 4,-2.3 -5,-0.3 -2,-0.2 0.909 110.0 50.0 -60.6 -40.8 26.6 44.2 7.8 96 96 A K H X S+ 0 0 111 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.886 108.3 51.8 -65.0 -41.2 25.4 45.6 4.5 97 97 A A H <>S+ 0 0 1 -4,-1.9 5,-2.0 2,-0.2 4,-0.3 0.917 111.5 46.6 -64.5 -40.2 22.1 43.8 4.7 98 98 A F H ><5S+ 0 0 3 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.897 110.6 52.8 -69.5 -40.8 21.5 45.1 8.1 99 99 A D H 3<5S+ 0 0 109 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.838 102.8 59.4 -59.8 -33.8 22.4 48.6 7.0 100 100 A D T 3<5S- 0 0 64 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.613 128.1-101.4 -71.0 -13.3 19.9 48.1 4.2 101 101 A G T < 5 + 0 0 39 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.511 67.7 151.0 108.1 4.8 17.3 47.7 6.9 102 102 A Y < - 0 0 8 -5,-2.0 -1,-0.3 1,-0.1 -98,-0.2 -0.420 32.8-157.4 -69.0 146.0 16.7 43.9 7.1 103 103 A D S S+ 0 0 65 -100,-2.5 46,-2.8 1,-0.3 2,-0.4 0.746 79.0 26.7 -88.0 -36.4 15.6 42.6 10.5 104 104 A R E -aD 4 148A 17 -101,-1.9 -99,-2.3 44,-0.2 2,-0.4 -0.996 68.5-178.0-137.4 131.6 16.8 39.0 10.0 105 105 A V E -aD 5 147A 0 42,-2.2 42,-2.0 -2,-0.4 2,-0.4 -0.993 8.4-170.4-136.6 131.1 19.5 37.8 7.8 106 106 A V E -aD 6 146A 0 -101,-2.3 -99,-3.4 -2,-0.4 2,-0.5 -0.965 7.2-161.3-118.6 139.1 20.8 34.3 7.0 107 107 A L E +aD 7 145A 7 38,-3.1 38,-2.2 -2,-0.4 2,-0.3 -0.978 18.7 169.5-118.4 129.3 24.0 33.7 5.0 108 108 A X E -aD 8 144A 2 -101,-2.8 -99,-2.7 -2,-0.5 36,-0.2 -0.970 25.8-121.0-141.0 158.6 24.6 30.3 3.4 109 109 A G - 0 0 20 34,-1.8 3,-0.2 -2,-0.3 -99,-0.1 -0.194 18.6-124.6 -90.7-176.8 26.9 28.6 1.0 110 110 A S S S+ 0 0 5 -101,-0.3 -68,-0.1 1,-0.1 -99,-0.1 0.086 85.0 89.2-121.6 24.3 26.2 26.8 -2.2 111 111 A D S S+ 0 0 45 1,-0.2 80,-2.9 32,-0.1 -1,-0.1 0.162 73.7 73.6-107.1 16.0 27.8 23.3 -1.6 112 112 A I > + 0 0 0 -3,-0.2 3,-2.3 78,-0.2 -1,-0.2 -0.528 53.2 165.8-129.6 64.6 24.6 21.7 -0.2 113 113 A P T 3 S+ 0 0 8 0, 0.0 -1,-0.1 0, 0.0 101,-0.1 0.684 73.4 51.5 -63.8 -23.6 22.4 21.2 -3.2 114 114 A D T 3 S+ 0 0 31 2,-0.1 95,-0.1 98,-0.0 94,-0.1 0.234 75.9 130.7 -94.1 10.3 19.9 18.9 -1.4 115 115 A Y < - 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0 0 109 -2,-0.3 -25,-0.2 1,-0.1 -26,-0.1 -0.849 45.5-171.1 -89.0 119.3 37.6 23.6 12.2 167 167 A V > + 0 0 15 -2,-0.6 4,-1.8 1,-0.2 -26,-0.2 0.640 63.1 80.0 -96.0 -14.3 35.8 27.0 12.6 168 168 A Y H > S+ 0 0 25 -28,-2.4 4,-3.1 2,-0.2 5,-0.3 0.937 93.5 45.4 -60.5 -51.1 32.5 26.0 14.0 169 169 A Q H > S+ 0 0 132 -29,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.948 113.2 48.6 -63.0 -50.5 33.5 25.4 17.7 170 170 A P H > S+ 0 0 57 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.885 114.1 50.5 -56.1 -33.9 35.5 28.6 18.0 171 171 A T H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.957 110.9 44.6 -69.1 -48.7 32.5 30.4 16.4 172 172 A V H X S+ 0 0 28 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.850 112.9 55.5 -65.8 -28.2 29.9 28.9 18.8 173 173 A E H X S+ 0 0 46 -4,-2.7 4,-2.9 -5,-0.3 -2,-0.2 0.950 106.5 47.9 -68.2 -48.7 32.4 29.8 21.5 174 174 A K H X S+ 0 0 62 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.869 112.0 51.9 -59.3 -36.2 32.5 33.5 20.5 175 175 A X H <>S+ 0 0 0 -4,-2.3 5,-2.4 2,-0.2 3,-0.2 0.898 110.0 47.5 -67.6 -39.4 28.7 33.4 20.4 176 176 A R H ><5S+ 0 0 68 -4,-2.0 3,-2.4 1,-0.2 -2,-0.2 0.942 109.7 52.2 -65.3 -46.9 28.5 32.0 23.9 177 177 A R H 3<5S+ 0 0 136 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.730 106.9 55.4 -62.8 -18.0 31.1 34.6 25.1 178 178 A A T 3<5S- 0 0 40 -4,-0.8 -1,-0.3 -3,-0.2 -2,-0.2 0.357 115.6-119.2 -93.2 1.0 28.7 37.2 23.5 179 179 A R T < 5 + 0 0 86 -3,-2.4 2,-0.3 1,-0.2 -3,-0.2 0.879 57.9 160.3 60.8 39.3 25.8 35.9 25.6 180 180 A L < - 0 0 31 -5,-2.4 2,-0.7 -49,-0.0 -1,-0.2 -0.727 42.7-133.2 -91.8 141.9 23.9 35.0 22.4 181 181 A E - 0 0 116 -2,-0.3 -50,-1.9 2,-0.0 -49,-1.8 -0.882 34.9-159.9 -90.8 115.9 21.0 32.5 22.4 182 182 A V E -f 132 0A 47 -2,-0.7 2,-0.6 -51,-0.2 -49,-0.2 -0.863 17.7-146.8-113.4 128.8 21.8 30.3 19.4 183 183 A L E -f 133 0A 16 -51,-3.0 -49,-2.3 -2,-0.5 2,-0.6 -0.783 17.1-150.2 -88.9 125.2 19.6 28.0 17.3 184 184 A Q E -f 134 0A 121 -2,-0.6 -49,-0.2 -51,-0.2 3,-0.1 -0.850 9.2-156.1-100.5 122.9 21.5 25.0 16.0 185 185 A L - 0 0 4 -51,-2.7 3,-0.1 -2,-0.6 -41,-0.0 -0.429 38.3 -71.6 -88.9 169.3 20.3 23.7 12.7 186 186 A P - 0 0 61 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.207 53.2-100.3 -61.4 150.5 20.8 20.1 11.6 187 187 A D - 0 0 94 -52,-0.1 2,-0.3 -3,-0.1 -50,-0.2 -0.415 47.7-176.9 -65.0 144.5 24.3 18.9 10.6 188 188 A W B -g 137 0B 55 -52,-1.8 -50,-1.6 -3,-0.1 2,-0.5 -0.986 23.5-118.3-145.6 150.3 24.7 18.7 6.8 189 189 A N - 0 0 36 -2,-0.3 2,-0.3 -52,-0.2 -52,-0.1 -0.847 16.5-143.3 -95.6 125.1 27.4 17.6 4.3 190 190 A D - 0 0 23 -2,-0.5 2,-0.9 -78,-0.1 -78,-0.2 -0.601 24.9-123.9 -72.3 142.1 29.0 20.0 1.9 191 191 A V + 0 0 3 -80,-2.9 -169,-0.1 -2,-0.3 3,-0.1 -0.824 59.2 133.6 -98.9 102.6 29.7 18.2 -1.4 192 192 A D + 0 0 69 -2,-0.9 -170,-0.4 1,-0.1 2,-0.2 0.717 57.8 41.1-112.9 -47.5 33.5 18.6 -2.0 193 193 A T S > S- 0 0 14 -172,-0.1 4,-2.0 -171,-0.1 5,-0.2 -0.570 84.8-105.3-109.7 170.3 34.9 15.2 -3.1 194 194 A V H > S+ 0 0 7 -173,-0.2 4,-2.4 1,-0.2 5,-0.1 0.836 122.5 57.0 -63.6 -28.9 33.8 12.3 -5.3 195 195 A W H > S+ 0 0 115 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.946 106.3 47.8 -67.1 -46.2 33.0 10.4 -2.1 196 196 A D H > S+ 0 0 30 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.887 111.5 51.8 -58.9 -39.0 30.7 13.2 -1.0 197 197 A L H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.881 106.9 53.0 -65.8 -41.4 29.1 13.1 -4.5 198 198 A N H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.917 111.8 44.9 -59.3 -43.6 28.6 9.3 -4.2 199 199 A V H X S+ 0 0 52 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.923 110.4 54.3 -67.8 -42.2 26.8 9.8 -0.8 200 200 A L H X S+ 0 0 6 -4,-2.6 4,-0.7 1,-0.2 -2,-0.2 0.925 114.4 43.2 -54.2 -47.1 24.7 12.7 -2.2 201 201 A Y H >< S+ 0 0 17 -4,-2.5 3,-0.6 1,-0.2 4,-0.2 0.937 116.3 43.5 -66.0 -48.6 23.6 10.4 -5.1 202 202 A R H 3< S+ 0 0 93 -4,-2.7 3,-0.4 1,-0.2 -1,-0.2 0.775 114.1 47.8 -79.6 -24.6 22.9 7.2 -3.1 203 203 A T H 3< S+ 0 0 94 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.522 104.2 60.5 -92.6 -6.9 21.0 8.7 -0.2 204 204 A N X< + 0 0 12 -4,-0.7 3,-1.8 -3,-0.6 6,-0.3 0.342 67.7 119.1-105.2 6.3 18.7 10.9 -2.2 205 205 A K T 3 S+ 0 0 57 -3,-0.4 3,-0.1 1,-0.3 4,-0.0 -0.580 87.0 18.1 -60.4 129.1 17.0 8.1 -4.1 206 206 A N T 3 S+ 0 0 109 -2,-0.3 -1,-0.3 1,-0.3 2,-0.2 0.548 106.0 100.1 80.3 8.6 13.4 8.5 -3.0 207 207 A S S X S- 0 0 48 -3,-1.8 3,-1.9 1,-0.0 -1,-0.3 -0.724 89.5-100.0-111.2 174.2 13.6 12.1 -1.7 208 208 A S G > S+ 0 0 105 1,-0.3 3,-1.3 -2,-0.2 4,-0.1 0.649 116.6 74.5 -69.6 -14.9 12.5 15.3 -3.6 209 209 A F G > S+ 0 0 13 1,-0.2 3,-2.0 2,-0.2 6,-0.5 0.738 79.3 77.9 -63.4 -22.7 16.1 16.0 -4.6 210 210 A R G < S+ 0 0 27 -3,-1.9 -1,-0.2 -6,-0.3 -2,-0.2 0.770 89.7 53.8 -57.1 -24.4 15.5 13.1 -7.0 211 211 A R G < S+ 0 0 231 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.414 89.0 110.0 -92.4 3.6 13.6 15.5 -9.3 212 212 A S S <> S- 0 0 20 -3,-2.0 4,-2.0 1,-0.1 5,-0.1 -0.335 77.6-123.1 -79.4 159.9 16.4 18.1 -9.4 213 213 A S H > S+ 0 0 39 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.869 115.0 56.4 -68.0 -35.7 18.6 18.9 -12.4 214 214 A T H > S+ 0 0 0 -177,-0.4 4,-2.0 1,-0.2 3,-0.3 0.961 107.0 47.3 -57.7 -51.7 21.6 18.0 -10.3 215 215 A Y H > S+ 0 0 27 -6,-0.5 4,-2.7 1,-0.3 5,-0.2 0.880 107.0 57.5 -62.7 -37.1 20.2 14.5 -9.6 216 216 A A H X S+ 0 0 27 -4,-2.0 4,-1.9 1,-0.2 -1,-0.3 0.904 107.8 48.7 -56.0 -44.3 19.4 14.1 -13.3 217 217 A L H X S+ 0 0 25 -4,-1.8 4,-1.2 -3,-0.3 -1,-0.2 0.862 109.7 51.2 -58.8 -42.0 23.2 14.7 -14.0 218 218 A L H < S+ 0 0 0 -4,-2.0 7,-0.3 2,-0.2 3,-0.2 0.913 107.8 52.2 -63.2 -43.1 24.2 12.2 -11.3 219 219 A R H >< S+ 0 0 136 -4,-2.7 3,-1.6 1,-0.3 4,-0.2 0.896 107.5 52.3 -61.7 -41.5 21.9 9.6 -12.8 220 220 A E H 3< S+ 0 0 147 -4,-1.9 3,-0.3 1,-0.3 -1,-0.3 0.829 112.2 47.2 -60.3 -32.5 23.6 10.2 -16.2 221 221 A N T >X S+ 0 0 20 -4,-1.2 4,-3.0 -3,-0.2 3,-1.2 0.126 76.9 122.6 -98.6 22.7 26.9 9.7 -14.4 222 222 A D H <> S+ 0 0 67 -3,-1.6 4,-2.6 1,-0.3 -1,-0.2 0.884 71.6 50.3 -50.6 -50.3 25.7 6.5 -12.7 223 223 A A H 34 S+ 0 0 78 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.713 116.1 43.2 -65.1 -26.7 28.5 4.3 -14.0 224 224 A L H X4 S+ 0 0 43 -3,-1.2 3,-1.6 2,-0.1 -2,-0.2 0.897 114.4 47.1 -82.0 -53.1 31.1 6.8 -13.0 225 225 A I H >< S+ 0 0 1 -4,-3.0 3,-1.8 1,-0.3 -2,-0.2 0.882 104.6 60.5 -60.5 -38.9 29.8 7.7 -9.5 226 226 A R T 3< S+ 0 0 106 -4,-2.6 3,-0.5 -5,-0.3 -1,-0.3 0.448 89.9 70.7 -71.9 -1.6 29.2 4.0 -8.5 227 227 A Q T < S+ 0 0 143 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.391 98.3 52.6 -88.9 0.1 32.9 3.3 -8.9 228 228 A Y S < S+ 0 0 70 -3,-1.8 2,-0.2 -34,-0.1 -1,-0.2 -0.251 77.1 157.2-127.4 39.0 33.5 5.5 -5.8 229 229 A D - 0 0 62 -3,-0.5 2,-0.4 -31,-0.1 -34,-0.1 -0.496 23.2-162.7 -66.8 135.7 31.1 3.8 -3.4 230 230 A I 0 0 61 1,-0.2 -2,-0.1 -2,-0.2 -1,-0.0 -0.935 360.0 360.0-115.4 141.2 31.8 4.3 0.3 231 231 A D 0 0 155 -2,-0.4 -1,-0.2 0, 0.0 0, 0.0 0.958 360.0 360.0 -59.5 360.0 30.2 2.0 2.9